Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8}$ (BSCCO) Structure: A2BC2D8E2_tI30_139_e_a_e_2eg_e-001
| Prototype | Ba$_{2}$CaCu$_{2}$O$_{8}$Sr$_{2}$ |
| AFLOW prototype label | A2BC2D8E2_tI30_139_e_a_e_2eg_e-001 |
| ICSD | 68188 |
| Pearson symbol | tI30 |
| Space group number | 139 |
| Space group symbol | $I4/mmm$ |
| AFLOW prototype command |
aflow --proto=A2BC2D8E2_tI30_139_e_a_e_2eg_e-001
--params=$a, \allowbreak c/a, \allowbreak z_{2}, \allowbreak z_{3}, \allowbreak z_{4}, \allowbreak z_{5}, \allowbreak z_{6}, \allowbreak z_{7}$ |
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Ca I |
| $\mathbf{B_{2}}$ | = | $z_{2} \, \mathbf{a}_{1}+z_{2} \, \mathbf{a}_{2}$ | = | $c z_{2} \,\mathbf{\hat{z}}$ | (4e) | Bi I |
| $\mathbf{B_{3}}$ | = | $- z_{2} \, \mathbf{a}_{1}- z_{2} \, \mathbf{a}_{2}$ | = | $- c z_{2} \,\mathbf{\hat{z}}$ | (4e) | Bi I |
| $\mathbf{B_{4}}$ | = | $z_{3} \, \mathbf{a}_{1}+z_{3} \, \mathbf{a}_{2}$ | = | $c z_{3} \,\mathbf{\hat{z}}$ | (4e) | Cu I |
| $\mathbf{B_{5}}$ | = | $- z_{3} \, \mathbf{a}_{1}- z_{3} \, \mathbf{a}_{2}$ | = | $- c z_{3} \,\mathbf{\hat{z}}$ | (4e) | Cu I |
| $\mathbf{B_{6}}$ | = | $z_{4} \, \mathbf{a}_{1}+z_{4} \, \mathbf{a}_{2}$ | = | $c z_{4} \,\mathbf{\hat{z}}$ | (4e) | O I |
| $\mathbf{B_{7}}$ | = | $- z_{4} \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{2}$ | = | $- c z_{4} \,\mathbf{\hat{z}}$ | (4e) | O I |
| $\mathbf{B_{8}}$ | = | $z_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}$ | = | $c z_{5} \,\mathbf{\hat{z}}$ | (4e) | O II |
| $\mathbf{B_{9}}$ | = | $- z_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}$ | = | $- c z_{5} \,\mathbf{\hat{z}}$ | (4e) | O II |
| $\mathbf{B_{10}}$ | = | $z_{6} \, \mathbf{a}_{1}+z_{6} \, \mathbf{a}_{2}$ | = | $c z_{6} \,\mathbf{\hat{z}}$ | (4e) | Sr I |
| $\mathbf{B_{11}}$ | = | $- z_{6} \, \mathbf{a}_{1}- z_{6} \, \mathbf{a}_{2}$ | = | $- c z_{6} \,\mathbf{\hat{z}}$ | (4e) | Sr I |
| $\mathbf{B_{12}}$ | = | $\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}+z_{7} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (8g) | O III |
| $\mathbf{B_{13}}$ | = | $z_{7} \, \mathbf{a}_{1}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+c z_{7} \,\mathbf{\hat{z}}$ | (8g) | O III |
| $\mathbf{B_{14}}$ | = | $- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{7} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ | (8g) | O III |
| $\mathbf{B_{15}}$ | = | $- z_{7} \, \mathbf{a}_{1}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- c z_{7} \,\mathbf{\hat{z}}$ | (8g) | O III |
References
- J. K. Liang, S. S. Xie, G. C. Che, J. Q. Huang, Y. L. Zhang, and Z. X. Zhao, Crystal Structure and Superconductivity of Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8}$ Compound, Mod. Phys. Lett. B 2, 483–489 (1988), doi:10.1142/S0217984988000059.
Prototype Generator
aflow --proto=A2BC2D8E2_tI30_139_e_a_e_2eg_e --params=$a,c/a,z_{2},z_{3},z_{4},z_{5},z_{6},z_{7}$